5-(chloromethyl)-2-(2-methylpropyl)pyrimidine

C9H13ClN2 — CID 62756081

IUPAC5-(chloromethyl)-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ncc(CCl)cn1
InChIInChI=1S/C9H13ClN2/c1-7(2)3-9-11-5-8(4-10)6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyVBFNEMUNNQLFPM-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.41
Rot. Bonds3

About 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine

5-(chloromethyl)-2-(2-methylpropyl)pyrimidine (PubChem CID 62756081) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-methylpropyl)pyrimidine
PubChem CID62756081
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-(chloromethyl)-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ncc(CCl)cn1
InChIInChI=1S/C9H13ClN2/c1-7(2)3-9-11-5-8(4-10)6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyVBFNEMUNNQLFPM-UHFFFAOYSA-N
XLogP2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine (CID 62756081) is 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine is CC(C)Cc1ncc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine?
The InChIKey is VBFNEMUNNQLFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7(2)3-9-11-5-8(4-10)6-12-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine?
5-(chloromethyl)-2-(2-methylpropyl)pyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 62756081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).